Benzene, 1-chloro-2-(1-methylethyl)-
- Formula: C9H11Cl
- Molecular weight: 154.637
- IUPAC Standard InChI: InChI=1S/C9H11Cl/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
- IUPAC Standard InChIKey: RNEMUWDQJSRDMQ-UHFFFAOYSA-N
- CAS Registry Number: 2077-13-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Cumene, o-chloro-; o-Chlorocumene; 2-Chloroisopropylbenzene; 2-chlorocumene
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Condensed phase thermochemistry data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -19.0 ± 0.50 | kcal/mol | Eqk | Nesterova, Rozhnov, et al., 1985 | |
| ΔfH°liquid | -17.9 ± 0.45 | kcal/mol | Eqk | Nesterova, Rozhnov, et al., 1985 | |
| ΔfH°liquid | -17.9 ± 0.45 | kcal/mol | Eqk | Nesterova, Rozhnov, et al., 1985 |
Phase change data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 464.3 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 464.15 | K | N/A | Pines and Mark, 1956 | Uncertainty assigned by TRC = 2. K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.5 | 356. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 341. to 465. K.; AC |
| 11.4 | 378. | A | Stephenson and Malanowski, 1987 | Based on data from 363. to 508. K. See also Dykyj and Vanko, 1970.; AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nesterova, Rozhnov, et al., 1985
Nesterova, T.N.; Rozhnov, A.M.; Malova, T.N.; Kovzel, E.N.,
Molar enthalpies of formation of isopropylchlorobenzenes derived from equilibrium measurements,
J. Chem. Thermodyn., 1985, 17, 649-656. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Pines and Mark, 1956
Pines, H.; Mark, V.,
Carbanions Additions in the Reaction of Aromatic Hydrocarbons with Monoolefins,
J. Am. Chem. Soc., 1956, 78, 4316. [all data]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj and Vanko, 1970
Dykyj, J.; Vanko, A.,
Petrochemica, 1970, 10, 1, 3. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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